Structure Information
Structure

Compound Identification

SMILES

CCCN1C[C@@H](CC2[C@H]1CC1=C(Br)NC3=CC=CC2=C13)C(=O)OC

InChIKey

InChIKey=JOKQBJFNUHCCFZ-UJBKNGIVSA-N

Formula

C19H23BrN2O2

Mass

391.309

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lysergic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Substituted pyrrole - Piperidine - Aryl bromide - Benzenoid - Aryl halide - Methyl ester - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Amine - Organobromide - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.

External Descriptors

Not available

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